N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine

C14H20ClNO2S — CID 81365892

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
SMILESC[C@H](NC1CCCC1S(C)(=O)=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2S/c1-10(11-5-3-6-12(15)9-11)16-13-7-4-8-14(13)19(2,17)18/h3,5-6,9-10,13-14,16H,4,7-8H2,1-2H3/t10-,13?,14?/m0/s1
InChIKeyOUEBTPOAWSUFKL-FNBIGBAISA-N
MW301.84 g/mol
LogP2.96
Rot. Bonds4

About N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine

N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine (PubChem CID 81365892) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
PubChem CID81365892
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
SMILESC[C@H](NC1CCCC1S(C)(=O)=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2S/c1-10(11-5-3-6-12(15)9-11)16-13-7-4-8-14(13)19(2,17)18/h3,5-6,9-10,13-14,16H,4,7-8H2,1-2H3/t10-,13?,14?/m0/s1
InChIKeyOUEBTPOAWSUFKL-FNBIGBAISA-N
XLogP2.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3-methylphenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81364185
N-[(1S)-1-(3-bromophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81381610
N-[1-(3,4-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 65044459
N-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63277317
2-[1-(3-chlorophenyl)ethylamino]cyclopentan-1-ol
CID 60713491
N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81366645
trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 93419082
trans-(1S,2S)-2-[1-(3-chlorophenyl)ethylamino]cyclohexan-1-ol
CID 104956148
N-[1-(3-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79538155
N-[(1R)-1-(furan-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81403412
N-[1-(3-chlorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43392322
(2S)-2-[(2-methylsulfonylcyclopentyl)amino]-2-phenylethanol
CID 103913967

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine (CID 81365892) is N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine is C[C@H](NC1CCCC1S(C)(=O)=O)c1cccc(Cl)c1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is OUEBTPOAWSUFKL-FNBIGBAISA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-10(11-5-3-6-12(15)9-11)16-13-7-4-8-14(13)19(2,17)18/h3,5-6,9-10,13-14,16H,4,7-8H2,1-2H3/t10-,13?,14?/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 301.84 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 81365892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).